N-(3-chloranyl-4-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H23ClN2O2S/c1-17-8-10-21(16-23(17)26)28-25(30)18(2)31-22-13-11-20(12-14-22)27-24(29)15-9-19-6-4-3-5-7-19/h3-16,18H,1-2H3,(H,27,29)(H,28,30)/b15-9+